N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H17ClN2O2S2 — CID 41437625

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C18H17ClN2O2S2/c1-11-16(25-17(20-11)12-6-7-24-10-12)18(22)21(2)9-13-8-14(19)4-5-15(13)23-3/h4-8,10H,9H2,1-3H3
InChIKeyPKEYKNBJGZRYTM-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.11
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 41437625) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID41437625
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C18H17ClN2O2S2/c1-11-16(25-17(20-11)12-6-7-24-10-12)18(22)21(2)9-13-8-14(19)4-5-15(13)23-3/h4-8,10H,9H2,1-3H3
InChIKeyPKEYKNBJGZRYTM-UHFFFAOYSA-N
XLogP5.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 32761494
N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38259366
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 27863937
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237676
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55427148
methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate
CID 55802629
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 134058827
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55605894
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 41437625) is N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PKEYKNBJGZRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-11-16(25-17(20-11)12-6-7-24-10-12)18(22)21(2)9-13-8-14(19)4-5-15(13)23-3/h4-8,10H,9H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 41437625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).